SCHEMBL8219294

SCHEMBL8219294

COc1ccc2cc(/C=C/C(=O)C34CCCC5CC(CC5C3)C4)cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 16/20 0.41
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8214695 0.94 ALDH1A1 (0.40) HPGDSKDM4EKMT2ASMN1; SMN2
SCHEMBL8213322 0.88 PDGFRB (0.42) KDM4EKMT2ASMN1; SMN2
SCHEMBL4728657 0.87 HPGDS (0.46) HPGDSKDM4EKMT2ASMN1; SMN2
SCHEMBL8221266 0.85 RAB9A (0.49) KDM4EKMT2ASMN1; SMN2
SCHEMBL8266779 0.81 MAOB (0.44) KDM4EKMT2ASMN1; SMN2
SCHEMBL8214243 0.81 HPGD (0.33) KDM4EKMT2ASMN1; SMN2
SCHEMBL8221280 0.81 MEN1 (0.33) KMT2ASMN1; SMN2
SCHEMBL8219508 0.81 LMNA (0.40) KMT2ASMN1; SMN2
SCHEMBL4731550 0.80 ALDH1A1 (0.47) KDM4EKMT2ASMN1; SMN2
SCHEMBL4729596 0.73 PDGFRB (0.50) KDM4EKMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 WO disclosed